5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione

C18H14I2N2O2 — CID 11466901

IUPAC5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(c2ccc(I)cc2)(c2ccc(I)cc2)C1=O
InChIInChI=1S/C18H14I2N2O2/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24)
InChIKeyYEWKIZMKNASFIA-UHFFFAOYSA-N
MW544.13 g/mol
LogP3.88
Rot. Bonds4

About 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione

5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 11466901) has the molecular formula C18H14I2N2O2 and a molecular weight of 544.13 g/mol. Its IUPAC name is 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID11466901
Molecular FormulaC18H14I2N2O2
Molecular Weight544.13 g/mol
Exact Mass543.91
IUPAC Name5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(c2ccc(I)cc2)(c2ccc(I)cc2)C1=O
InChIInChI=1S/C18H14I2N2O2/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24)
InChIKeyYEWKIZMKNASFIA-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.13
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione (CID 11466901) is 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)NC(c2ccc(I)cc2)(c2ccc(I)cc2)C1=O.
What is the InChIKey of 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is YEWKIZMKNASFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14I2N2O2/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24).
What are the key properties of 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione?
5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 544.13 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-iodophenyl)-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 11466901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).